input word = C00029868

Metabolite InformationStructural formula
Name Caesaldekarin J
Formula C21H26O4
Mw 342.18310932
CAS RN 218603-17-9
C_ID C00029868 ,
InChIKey CALDUYGLNFEUDP-MRZQWFAENA-N
InChICode InChI=1S/C21H26O4/c1-13-14-6-10-21(23)19(2,8-5-9-20(21,3)18(22)24-4)16(14)12-17-15(13)7-11-25-17/h7,11-12,23H,5-6,8-10H2,1-4H3/t19-,20-,21+/m1/s1
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3CC[C@@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia bonduc Ref.
zoom in